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Electron-phonon coupling and superconductivity in the doped topological crystalline insulator ( Pb 0.5 Sn 0.5 ) 1 – x In x Te

Here, we present a neutron-scattering study of phonons in single crystals of ( Pb 0.5 Sn 0.5 ) 1 – x In x Te with x = 0 (metallic, but nonsuperconducting) and x = 0.2 (nonmetallic normal state, but superconducting). We map the phonon dispersions (more completely for x = 0 ) and find general consistency with theoretical calculations, except for the transverse and longitudinal optical (LO) modes at the Brillouin-zone center. At low temperature, both modes are strongly damped but sit at a finite energy ( ≈ 4 meV in both samples), shifting to higher energy at room temperature. These modes are soft due to a proximate structural instability driven by the sensitivity of Pb-Te and Sn-Te p -orbital hybridization to off-center displacements of the metal atoms. The impact of the soft optical modes on the low-energy acoustic modes is inferred from the low thermal conductivity, especially at low temperature. Given that the strongest electron-phonon coupling is predicted for the LO mode, which should be similar for both studied compositions, it is intriguing that only the In-doped crystal is superconducting. In addition, we observe elastic diffuse (Huang) scattering that is qualitatively explained by the difference in Pb-Te and Sn-Te bond lengths within the lattice of randomly distributed Pb and Sn sites. We also confirm the presence of anomalous diffuse low-energy atomic vibrations that we speculatively attribute to local fluctuations of individual Pb atoms between off-center sites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Materials Data on SnTe by Materials Project

SnTe is Tetraauricupride structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Sn2+ is bonded in a body-centered cubic geometry to eight equivalent Te2- atoms. All Sn–Te bond lengths are 3.38 Å. Te2- is bonded in a body-centered cubic geometry to eight equivalent Sn2+ atoms.

36 MATERIALS SCIENCE↗

Materials Data on SnTe by Materials Project

SnTe is Zincblende, Sphalerite structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Sn2+ is bonded to four equivalent Te2- atoms to form corner-sharing SnTe4 tetrahedra. All Sn–Te bond lengths are 3.13 Å. Te2- is bonded to four equivalent Sn2+ atoms to form corner-sharing TeSn4 tetrahedra.

36 MATERIALS SCIENCE↗

Materials Data on SnTe by Materials Project

SnTe is Halite, Rock Salt structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn2+ is bonded to six equivalent Te2- atoms to form a mixture of corner and edge-sharing SnTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Sn–Te bond lengths are 3.21 Å. Te2- is bonded to six equivalent Sn2+ atoms to form a mixture of corner and edge-sharing TeSn6 octahedra. The corner-sharing octahedral tilt angles are 0°.

36 MATERIALS SCIENCE↗

Materials Data on SnTe3 by Materials Project

Te3Sn is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sn4+ is bonded in a body-centered cubic geometry to eight equivalent Te+1.33- atoms. All Sn–Te bond lengths are 3.34 Å. There are two inequivalent Te+1.33- sites. In the first Te+1.33- site, Te+1.33- is bonded in a distorted body-centered cubic geometry to four equivalent Sn4+ and four equivalent Te+1.33- atoms. All Te–Te bond lengths are 3.34 Å. In the second Te+1.33- site, Te+1.33- is bonded in a body-centered cubic geometry to eight equivalent Te+1.33- atoms.

36 MATERIALS SCIENCE↗

Materials Data on Sn3Te by Materials Project

(Sn)2SnTe is alpha Niobium phosphide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is two-dimensional and consists of two Sn sheets oriented in the (0, 0, 1) direction and two SnTe sheets oriented in the (0, 0, 1) direction. In each Sn sheet, Sn is bonded in a square co-planar geometry to four equivalent Sn atoms. All Sn–Sn bond lengths are 3.25 Å. In each SnTe sheet, Sn is bonded in a square co-planar geometry to four equivalent Te atoms. All Sn–Te bond lengths are 3.25 Å. Te is bonded in a square co-planar geometry to four equivalent Sn atoms.

36 MATERIALS SCIENCE↗